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September 27, 2025Chemistry & Biodiversity

Synthesis, Crystallographic Study, Hirshfeld Surface Analysis, Energy Frameworks, and DFT Calculation of Quinoline‐4‐Ester Derivatives as Antifungal Agent

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Authors

LKLingjie KongXSXin‐Peng SunWYWei Yu

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Overview

Novel quinoline‐4‐ester derivatives show varying fungicidal activity against multiple fungi, indicating potential applicability.

Key Points

  • Compounds demonstrated certain fungicidal activity against 10 types of fungus, with some achieving over 30%.
  • Moderate activity was noted for compounds 7a-7c against Alternaria solani and 7g against Physalospora piricola.
  • Hirshfeld surface analysis revealed dominant crystal interactions, guiding structural optimization for enhanced efficacy.
  • Density functional theory calculations provided insights into electronic properties, suggesting optimization pathways.

Cite This Study

Kong et al. (2025) studied this question.

synapsesocial.com/papers/68d7cc66eebfec0fc5238761https://doi.org/10.1002/cbdv.202502065
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Novel Quinoline‐4‐ester Derivatives as Antifungal Agent: Synthesis, and In Silico Study2026
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  4. 4Synthesis, and Computational Insights Into Quinoline Hydrazide Derivatives as Potential Antimicrobial Agents2025
  5. 5Synthesis, structural characterization, hirshfeld surface, DFT calculation and antifungal activity of novel quinoline carbonothioate compounds2024 · 1 citations